3OR2

Crystal structure of dissimilatory sulfite reductase II (DsrII)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	110
Detector technology	CCD
Collection date	2009-01-05
Detector	ADSC QUANTUM 315
Spacegroup name	P 1 21 1
Unit cell lengths	115.129, 59.977, 133.208
Unit cell angles	90.00, 94.24, 90.00

Refinement procedure

Resolution	30.000 - 2.050
R-factor	0.191
Rwork	0.191
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3or1
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.083	0.261
Number of reflections	112128
<I/σ(I)>	15.6	3.8
Completeness [%]	97.6	83.1
Redundancy	3.6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				VAPOR DIFFUSION, HANGING DROP
1				VAPOR DIFFUSION, HANGING DROP